3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

C19H23N3O3 — CID 95822603

IUPAC3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-12-9-19(23)22-10-7-15(8-11-22)17-13-20-14-18(21-17)25-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3
InChIKeyIJGSRSVOIJVMCB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.01
Rot. Bonds6

About 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one

3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95822603) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95822603
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-24-12-9-19(23)22-10-7-15(8-11-22)17-13-20-14-18(21-17)25-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3
InChIKeyIJGSRSVOIJVMCB-UHFFFAOYSA-N
XLogP3.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822427
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
CID 175657740
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
1-[4-(6-phenoxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95821984
1-morpholin-4-yl-2-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95843376
3-methoxy-1-[4-(2-phenoxyethyl)piperidin-1-yl]propan-1-one
CID 53150681
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 95822603) is 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is COCCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1.
What is the InChIKey of 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is IJGSRSVOIJVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-12-9-19(23)22-10-7-15(8-11-22)17-13-20-14-18(21-17)25-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3.
What are the key properties of 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95822603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).